N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]-3-nitro-benzamide Formula: C24H16ClN5O3S MolecularWeight: 489.93354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H16ClN5O3S/c25-21-12-5-4-7-17(21)15-34-24-20(14-26)22(29(28-24)18-9-2-1-3-10-18)27-23(31)16-8-6-11-19(13-16)30(32)33/h1-13H,15H2,(H,27,31)